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RAGE 229

CAT: 0013-GTR19186806-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186806-02Size:5 mg
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Description
RAGE 229
CAS Number
2143072-85-7
Smiles
C (C=1C2=C (N=C (C1) C3=CC=C (NC (C) =O) C=C3) C=C (C#N) C=C2) N4CCOCC4
Molecular Formula
C23H22N4O2
Molecular Weight
386.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide
CAS Number2143072-85-7
PubChem CID132020228
IUPAC NameN-[4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]acetamide
Molecular FormulaC23H22N4O2
Molecular Weight386.4
XLogP2.2
Topological Polar Surface Area78.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity603
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C#N)C(=C2)CN4CCOCC4
InChI
InChI=1S/C23H22N4O2/c1-16(28)25-20-5-3-18(4-6-20)22-13-19(15-27-8-10-29-11-9-27)21-7-2-17(14-24)12-23(21)26-22/h2-7,12-13H,8-11,15H2,1H3,(H,25,28)
InChIKey
VDYYVNHJRNDKDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide
CAS: 2143072-85-7
CID: 132020228
Formula: C23H22N4O2
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass386.17427596
Monoisotopic Mass386.17427596
Topological Polar Surface Area78.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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